Cas no 3657-07-6 (Acetic acid,2,2,2-trichloro-, butyl ester)
3657-07-6 structure
Product Name:Acetic acid,2,2,2-trichloro-, butyl ester
Acetic acid,2,2,2-trichloro-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2,2-trichloro-, butyl ester
- Butyl trichloroacetate;Acetic acid, trichloro-, butyl ester;n-Butyl trichloroacetate
- NS00047643
- 3657-07-6
- AI3-11626
- EINECS 222-903-0
- trichloro-acetic acid butyl ester
- DTXSID10190067
- n-Butyl trichloroacetate
- SECVZLDDYUWJAC-UHFFFAOYSA-N
- NSC 42927
- AKOS024390947
- Trichloroacetic acid butyl ester
- SCHEMBL2000027
- NSC-42927
- Acetic acid, trichloro-, butyl ester
- Trichloroacetic acid, butyl ester
- Butyl trichloroacetate
- NSC42927
-
- Inchi： 1S/C6H9Cl3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3
- InChI Key： SECVZLDDYUWJAC-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCCCC)(Cl)Cl
Computed Properties
- Exact Mass: 217.96697
- Monoisotopic Mass: 217.966813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.2778
- Boiling Point: 314.84°C (rough estimate)
- Refractive Index: 1.4525 (estimate)
- PSA: 26.3
Acetic acid,2,2,2-trichloro-, butyl ester Related Literature
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1. 433. Reactions in carboxylic acid–thionyl chloride systemsW. Gerrard,A. M. Thrush J. Chem. Soc. 1953 2117
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2. Free-radical substitution in aliphatic compounds. Part XIV. The halogenation of esters of butan-1-olHari Singh,J. M. Tedder J. Chem. Soc. B 1966 608
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3. 369. Physical properties and chemical constitution. Part XXIII. Miscellaneous compounds. Investigation of the so-called co-ordinate or dative link in esters of oxy-acids and in nitro-paraffins by molecular refractivity determinations. atomic, structural, and group parachors and refractivitiesArthur I. Vogel J. Chem. Soc. 1948 1833
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S. A. Mumford,J. W. C. Phillips J. Chem. Soc. 1950 75
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5. 104. The low-temperature polymerisation of isobutene. Part IIP. H. Plesch J. Chem. Soc. 1950 543
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
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